3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C14H13N5O2 — CID 166210280

IUPAC3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)Nc3cccnn3)cc12
InChIInChI=1S/C14H13N5O2/c1-8(2)12-10-6-9(7-15-14(10)21-19-12)13(20)17-11-4-3-5-16-18-11/h3-8H,1-2H3,(H,17,18,20)
InChIKeyRHHCJCAFKKVRRI-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.39
Rot. Bonds3

About 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 166210280) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID166210280
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)Nc3cccnn3)cc12
InChIInChI=1S/C14H13N5O2/c1-8(2)12-10-6-9(7-15-14(10)21-19-12)13(20)17-11-4-3-5-16-18-11/h3-8H,1-2H3,(H,17,18,20)
InChIKeyRHHCJCAFKKVRRI-UHFFFAOYSA-N
XLogP2.39
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
N-[(2R)-3-methylbutan-2-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30137551
N-[1-(3-methylphenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166337233
N-[1-(3-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166191150
N-(1-methoxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24639517
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24667961
N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25333039
3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 99701439
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166192108
5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113238409
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30103284

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 166210280) is 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)Nc3cccnn3)cc12.
What is the InChIKey of 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is RHHCJCAFKKVRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8(2)12-10-6-9(7-15-14(10)21-19-12)13(20)17-11-4-3-5-16-18-11/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166210280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).